methyl 2-(furan-2-yl)-2-methyl-5-oxo-3-propyloxolane-3-carboxylate

C14H18O5 — CID 132510423

IUPACmethyl 2-(furan-2-yl)-2-methyl-5-oxo-3-propyloxolane-3-carboxylate
SMILESCCCC1(C(=O)OC)CC(=O)OC1(C)c1ccco1
InChIInChI=1S/C14H18O5/c1-4-7-14(12(16)17-3)9-11(15)19-13(14,2)10-6-5-8-18-10/h5-6,8H,4,7,9H2,1-3H3
InChIKeyAIHSBABSKPZHLI-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.40
Rot. Bonds4

About methyl 2-(furan-2-yl)-2-methyl-5-oxo-3-propyloxolane-3-carboxylate

methyl 2-(furan-2-yl)-2-methyl-5-oxo-3-propyloxolane-3-carboxylate (PubChem CID 132510423) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is methyl 2-(furan-2-yl)-2-methyl-5-oxo-3-propyloxolane-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(furan-2-yl)-2-methyl-5-oxo-3-propyloxolane-3-carboxylate
PubChem CID132510423
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Namemethyl 2-(furan-2-yl)-2-methyl-5-oxo-3-propyloxolane-3-carboxylate
SMILESCCCC1(C(=O)OC)CC(=O)OC1(C)c1ccco1
InChIInChI=1S/C14H18O5/c1-4-7-14(12(16)17-3)9-11(15)19-13(14,2)10-6-5-8-18-10/h5-6,8H,4,7,9H2,1-3H3
InChIKeyAIHSBABSKPZHLI-UHFFFAOYSA-N
XLogP2.40
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(furan-2-yl)-2-methyl-5-oxo-3-propyloxolane-3-carboxylate?
The IUPAC name of methyl 2-(furan-2-yl)-2-methyl-5-oxo-3-propyloxolane-3-carboxylate (CID 132510423) is methyl 2-(furan-2-yl)-2-methyl-5-oxo-3-propyloxolane-3-carboxylate.
What is the SMILES notation for methyl 2-(furan-2-yl)-2-methyl-5-oxo-3-propyloxolane-3-carboxylate?
The canonical SMILES for methyl 2-(furan-2-yl)-2-methyl-5-oxo-3-propyloxolane-3-carboxylate is CCCC1(C(=O)OC)CC(=O)OC1(C)c1ccco1.
What is the InChIKey of methyl 2-(furan-2-yl)-2-methyl-5-oxo-3-propyloxolane-3-carboxylate?
The InChIKey is AIHSBABSKPZHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-4-7-14(12(16)17-3)9-11(15)19-13(14,2)10-6-5-8-18-10/h5-6,8H,4,7,9H2,1-3H3.
What are the key properties of methyl 2-(furan-2-yl)-2-methyl-5-oxo-3-propyloxolane-3-carboxylate?
methyl 2-(furan-2-yl)-2-methyl-5-oxo-3-propyloxolane-3-carboxylate has a molecular weight of 266.29 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(furan-2-yl)-2-methyl-5-oxo-3-propyloxolane-3-carboxylate is sourced from PubChem (CID 132510423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).